CID 7362

Furfural

Structural Information

Molecular Formula
C5H4O2
SMILES
C1=COC(=C1)C=O
InChI
InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H
InChIKey
HYBBIBNJHNGZAN-UHFFFAOYSA-N
Compound name
furan-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
11
Annotation Hits

2898
References

66848
Patents

96.021126 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.028402 112.1
[M+Na]+ 119.01034 121.5
[M-H]- 95.013850 116.9
[M+NH4]+ 114.05495 136.0
[M+K]+ 134.98428 122.3
[M+H-H2O]+ 79.018386 107.7
[M+HCOO]- 141.01933 138.5
[M+CH3COO]- 155.03498 162.4
[M+Na-2H]- 116.99579 121.3
[M]+ 96.020577 114.1
[M]- 96.021675 114.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.